BDBM172896 US9096559, 123

SMILES: CC(=O)N(Cc1cn(C)nn1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1

InChI Key: InChIKey=MZBJROKNEHJCRA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172896   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172896 (US9096559, 123) Show SMILES CC(=O)N(Cc1cn(C)nn1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C24H24N6O2S/c1-16(31)30(15-20-14-29(2)28-27-20)13-17-5-7-18(8-6-17)24(32)26-22-12-19(9-10-21(22)25)23-4-3-11-33-23/h3-12,14H,13,15,25H2,1-2H3,(H,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair